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Tags | Hunter Heidenreich, AI Research Scientist

All content tags: deep learning, scientific simulation, molecular dynamics, large language models, PEFT, and more from Hunter Heidenreich's research and posts.
  • algorithms 8
  • benchmark 4
  • big-idea 3
  • catalysis 2
  • chemical-space 3
  • cheminformatics 29
  • computational-chemistry 60
  • computer-vision 13
  • conference 3
  • creative-coding 8
  • data-augmentation 2
  • datasets 19
  • deep-learning 15
  • density-functional-theory 2
  • diffusion 2
  • document-processing 2
  • drug-discovery 4
  • embeddings 4
  • evaluation 11
  • foundational-paper 3
  • generative-models 11
  • graph-theory 2
  • hackathon 1
  • historical-papers 2
  • history-of-science 2
  • image-captioning 3
  • image-processing 5
  • lammps 7
  • language-models 3
  • legislative-data 3
  • machine-learning 47
  • markush-structures 2
  • materials 11
  • molecular-dynamics 19
  • molecular-representation 33
  • natural-language-processing 12
  • neural-networks 10
  • ocr 2
  • optical-chemical-structure-recognition 11
  • optimization 17
  • ovito 5
  • paper-summary 3
  • patents 2
  • performance-analysis 2
  • preprint 6
  • python 12
  • pytorch 8
  • quantum-chemistry 3
  • reinforcement-learning 3
  • scientific-computing 13
  • simulation 13
  • smiles 3
  • social-computing 2
  • social-media 3
  • standardization 3
  • stereochemistry 2
  • surface-science 2
  • text-classification 4
  • transformers 11
  • tutorial 24
  • unity3d 6
  • youthful-notion 6
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